N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide

C16H23ClN2O2S — CID 98897416

IUPACN-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H23ClN2O2S/c1-22(20,21)18-14-10-16(11-14)6-8-19(9-7-16)12-13-4-2-3-5-15(13)17/h2-5,14,18H,6-12H2,1H3
InChIKeyKZMCUPHAXPKYLC-UHFFFAOYSA-N
MW342.89 g/mol
LogP2.63
Rot. Bonds4

About N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide

N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide (PubChem CID 98897416) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
PubChem CID98897416
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CC2(CCN(Cc3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H23ClN2O2S/c1-22(20,21)18-14-10-16(11-14)6-8-19(9-7-16)12-13-4-2-3-5-15(13)17/h2-5,14,18H,6-12H2,1H3
InChIKeyKZMCUPHAXPKYLC-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4R)-9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 98894396
N-[7-[(2-methylpyrimidin-5-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide
CID 98895376
N-(7-benzyl-7-azaspiro[3.5]nonan-2-yl)benzenesulfonamide
CID 155880238
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[6-[(3,4-dimethylphenyl)methyl]-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894707
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
(3R)-8-[(2-chlorophenyl)methyl]-3-methoxy-1-oxa-8-azaspiro[4.5]decane
CID 97418763
N-[9-[(2,3-difluorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]methanesulfonamide
CID 133139945
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
3-[9-[(2-chlorophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1,1-dimethylurea
CID 131661376
N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 70726913
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The IUPAC name of N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide (CID 98897416) is N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The canonical SMILES for N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide is CS(=O)(=O)NC1CC2(CCN(Cc3ccccc3Cl)CC2)C1.
What is the InChIKey of N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
The InChIKey is KZMCUPHAXPKYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-22(20,21)18-14-10-16(11-14)6-8-19(9-7-16)12-13-4-2-3-5-15(13)17/h2-5,14,18H,6-12H2,1H3.
What are the key properties of N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide?
N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide has a molecular weight of 342.89 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2-chlorophenyl)methyl]-7-azaspiro[3.5]nonan-2-yl]methanesulfonamide is sourced from PubChem (CID 98897416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).